8AER

Malonyl-CoA reductase from Chloroflexus aurantiacus - C-terminal Y731A variant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-01
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97625
Spacegroup name	C 1 2 1
Unit cell lengths	101.710, 124.510, 74.680
Unit cell angles	90.00, 105.09, 90.00

Refinement procedure

Resolution	48.000 - 1.770
R-factor	0.1748
Rwork	0.174
R-free	0.19640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8a30
RMSD bond length	0.007
RMSD bond angle	0.991
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.000	1.833
High resolution limit [Å]	1.770	1.770
Rmerge	0.044	0.399
Rmeas	0.063	0.564
Rpim	0.045
Number of reflections	156726	15751
<I/σ(I)>	9.44	1.53
Completeness [%]	96.2	97.09
Redundancy	1.9	1.9
CC(1/2)	0.997	0.665

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.4	293	0.1 M Sodium citrate tribasic dihydrate, 1 M Ammonium phosphate